Chemical Components in the PDB

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MZ0 : Summary

Code

MZ0

One-letter code

X

Molecule name

1H-imidazol-5-ylmethanol

Systematic names

ProgramVersionName
ACDLabs 12.01 1H-imidazol-5-ylmethanol
OpenEye OEToolkits 1.9.2 1H-imidazol-5-ylmethanol

Formula

C4 H6 N2 O

Formal charge

0

Molecular weight

98.103 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 OCc1cncn1
SMILES CACTVS 3.385 OCc1[nH]cnc1
SMILES OpenEye OEToolkits 1.9.2 c1c([nH]cn1)CO
Canonical SMILES CACTVS 3.385 OCc1[nH]cnc1
Canonical SMILES OpenEye OEToolkits 1.9.2 c1c([nH]cn1)CO

IUPAC InChI

InChI=1S/C4H6N2O/c7-2-4-1-5-3-6-4/h1,3,7H,2H2,(H,5,6)

IUPAC InChI key

QDYTUZCWBJRHKK-UHFFFAOYSA-N
MZ0

wwPDB Information

Atom count

13 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-10-26

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned